The Drug Ontology

Last uploaded: December 20, 2024

Id	http://purl.obolibrary.org/obo/CHEBI_77431 http://purl.obolibrary.org/obo/CHEBI_77431
Preferred Name	1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
Definitions	A piperidinecarboxamide obtained by formal condensation of the carboxy group of N-butylpipecolic acid with the amino group of 2,6-dimethylaniline.
Synonyms	DL-Bupivacaine bupivacainum bupivacaina Marcaine 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
Type	http://www.w3.org/2002/07/owl#Class

definition	A piperidinecarboxamide obtained by formal condensation of the carboxy group of N-butylpipecolic acid with the amino group of 2,6-dimethylaniline.
label	1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
prefLabel	1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
database_cross_reference	KEGG:C07529 KEGG:D07552 CAS:38396-39-3
notation	CHEBI:77431
in_subset	http://purl.obolibrary.org/obo/chebi#3_STAR
inchi	InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
has_related_synonym	DL-Bupivacaine bupivacainum bupivacaina Marcaine
id	CHEBI:77431
charge	0
has_obo_namespace	chebi_ontology
formula	C18H28N2O
subClassOf	http://purl.obolibrary.org/obo/CHEBI_62733 http://purl.obolibrary.org/obo/CHEBI_48592 http://purl.obolibrary.org/obo/CHEBI_50996
is conjugate base of	http://purl.obolibrary.org/obo/CHEBI_77457
inchikey	LEBVLXFERQHONN-UHFFFAOYSA-N
mass	288.42770
monoisotopicmass	288.22016
type	http://www.w3.org/2002/07/owl#Class
smiles	CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
has_exact_synonym	1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
alternative label	DL-Bupivacaine bupivacainum bupivacaina Marcaine 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide

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